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Chemical ID: 6874781

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)Nc4ccc(c(c4)Cl)Cl

Chemical ID:

6874781

Name [?]:

2-[2-(2-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl]oxy-N-(3,4-dichlorophenyl)-acetamide

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)Nc4ccc(c(c4)Cl)Cl

InChi [?]:

InChI=1/C24H16Cl3NO4/c1-13-6-9-20-16(10-13)22(30)24(23(32-20)15-4-2-3-5-17(15)25)31-12-21(29)28-14-7-8-18(26)19(27)11-14/h2-11H,12H2,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,15,16,14,17,3,26,27,4,7,30,21,2,25,13,6,18,28,29,5,22,8,11,10,19,32,31,24,23,9,20,12/rA:32nCCCCCCCCOCCOCCCCCCClOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₆Cl₃NO₄
All Atoms:	48
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4619
Area:	686.58
Solvation:	-4.70261
Coulombic:	-48.5708

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	488.746
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.91
LogP (Chemaxon):	6.47

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value